(3,3,5-trimethylcyclohexyl) 2-(2-chloranyl-4-ethanoyl-phenoxy)-2-methyl-propanoate

Systemtic Name: (3,3,5-trimethylcyclohexyl) 2-(2-chloranyl-4-ethanoyl-phenoxy)-2-methyl-propanoate Openeye Name: (3,3,5-trimethylcyclohexyl) 2-(4-acetyl-2-chloro-phenoxy)-2-methyl-propanoate CAS Name: 2-(4-acetyl-2-chlorophenoxy)-2-methylpropanoic acid (3,3,5-trimethylcyclohexyl) ester IUPAC Name: (3,3,5-trimethylcyclohexyl) 2-(4-acetyl-2-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-acetyl-2-chloro-phenoxy)-2-methyl-propionic acid (3,3,5-trimethylcyclohexyl) ester Formula: C21H29ClO4 MolecularWeight: 380.90556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OC(=O)C(C)(C)OC2=C(C=C(C=C2)C(=O)C)Cl

Isomeric SMILES

CC1CC(CC(C1)(C)C)OC(=O)C(C)(C)OC2=C(C=C(C=C2)C(=O)C)Cl

InChI

InChI=1S/C21H29ClO4/c1-13-9-16(12-20(3,4)11-13)25-19(24)21(5,6)26-18-8-7-15(14(2)23)10-17(18)22/h7-8,10,13,16H,9,11-12H2,1-6H3